SCHEMBL1707776

SCHEMBL1707776

O=C(Nc1cc(Br)ncc1F)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.46
JAK2 O60674 9/20 0.46
JAK1 P23458 6/20 0.46
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1706653 0.79 TYK2 (0.62) TYK2JAK2JAK1RAB9A
SCHEMBL1706179 0.76 TYK2 (0.59) TYK2JAK2JAK1CYP3A4L3MBTL1
SCHEMBL16320788 0.75 L3MBTL1 (0.55) TYK2JAK2JAK1L3MBTL1TLR7
SCHEMBL23461777 0.75 KDM4E (0.37) TYK2RAB9A
SCHEMBL1706720 0.74 TYK2 (0.55) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL16649977 0.74 RAB9A (0.48) TYK2JAK2JAK1RAB9AMEN1
SCHEMBL3516779 0.74 LCK (0.51) TYK2JAK2JAK1L3MBTL1RAB9A
SCHEMBL1706027 0.73 KCNQ3 (0.43) CYP3A4RAB9AKMT2APOLB
SCHEMBL1707688 0.73 TYK2 (0.70) TYK2JAK2JAK1CYP3A4
SCHEMBL29090445 0.71 TYK2 (0.49) TYK2JAK2JAK1CYP3A4RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TYK2 21/4885JAK2 1/4885JAK1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.